Chemical ID: 6477840

CC(C)(C)c1c2c(no1)-c3ccccc3C2=O
Chemical ID:
6477840
Name [?]:
None
SMILES [?]:
CC(C)(C)c1c2c(no1)-c3ccccc3C2=O
InChi [?]:
InChI=1/C14H13NO2/c1-14(2,3)13-10-11(15-17-13)8-6-4-5-7-9(8)12(10)16/h4-7H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,13,11,14,10,15,6,7,16,5,2,8,17,9/E:(1,2,3)/rA:17nCCCCCCCNOCCCCCCCO/rB:s1;s2;s2;s2;d5;s6;d7;s5s8;s7;s10;d11;s12;d13;d10s14;s6s15;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.77069
Area:390.911
Solvation:-2.00209
Coulombic:-13.6756
Bond Count [?]
All:19
Single:13
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:227.259
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.03
LogP (Chemaxon):3.2

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Descriptor Annotations

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